SCHEMBL9029578

SCHEMBL9029578

O=c1cc(OS(=O)(=O)O)c2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.59
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.50
F2 P00734 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
CHEK1 O14757 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13813797 0.80 HPGD (0.47) SLC22A6KDM4EALDH1A1HSD17B10F2
SCHEMBL27748382 0.77 KDM4E (0.50) KDM4EALDH1A1HSD17B10F2CYP1A2
SCHEMBL9029582 0.76 CYP1A2 (0.56) KDM4EALDH1A1HSD17B10F2CYP1A2
SCHEMBL2799080 0.76 TNKS2 (0.61) KDM4EALDH1A1CYP1A2CYP2C19TNKS2
SCHEMBL31664571 0.76 TNKS2 (0.61) KDM4EALDH1A1CYP1A2CYP2C19TNKS2
SCHEMBL9232127 0.75 KDM4E (0.54) KDM4EALDH1A1HSD17B10F2CYP1A2
Indoxyl Sulfate SCHEMBL15755 0.75 SLC22A6 (1.00) SLC22A6ALDH1A1SMN1; SMN2MAPK1CHEK1
Indoxyl Sulfate SCHEMBL9743592 0.75 SLC22A6 (1.00) SLC22A6ALDH1A1SMN1; SMN2MAPK1CHEK1
Indoxyl Sulfate SCHEMBL29377051 0.75 SLC22A6 (1.00) SLC22A6ALDH1A1SMN1; SMN2MAPK1CHEK1
SCHEMBL27445663 0.74 KDM4E (0.53) KDM4EALDH1A1HSD17B10F2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707569-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-04-24 EP claimed
WO-1995000488-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-01-05 WO claimed